Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “Cu-H-Li-O”

Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

6 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Li5CuHO4 by Materials Project

Li5CuHO4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are six inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded to four O2- atoms to form distorted LiO4 tetrahedra that share a cornercorner with one LiO5 square pyramid, corners with two LiO4 tetrahedra, an edgeedge with one LiO5 square pyramid, and edges with two equivalent LiO4 tetrahedra. There are a spread of Li–O bond distances ranging from 2.00–2.03 Å. In the second Li1+ site, Li1+ is bonded in a 5-coordinate geometry to one H1+ and four O2- atoms. The Li–H bond length is 2.10 Å. There are a spread of Li–O bond distances ranging from 1.94–2.08 Å. In the third Li1+ site, Li1+ is bonded in a 3-coordinate geometry to two equivalent H1+ and three O2- atoms. Both Li–H bond lengths are 2.15 Å. There is one shorter (1.92 Å) and two longer (1.97 Å) Li–O bond length. In the fourth Li1+ site, Li1+ is bonded to five O2- atoms to form a mixture of distorted corner and edge-sharing LiO5 square pyramids. There are a spread of Li–O bond distances ranging from 2.00–2.35 Å. In the fifth Li1+ site, Li1+ is bonded to four O2- atoms to form distorted LiO4 tetrahedra that share corners with two LiO4 tetrahedra, edges with two equivalent LiO5 square pyramids, and edges with three LiO4 tetrahedra. There are a spread of Li–O bond distances ranging from 1.94–2.09 Å. In the sixth Li1+ site, Li1+ is bonded in a distorted trigonal planar geometry to three O2- atoms. There are a spread of Li–O bond distances ranging from 1.95–2.02 Å. There are two inequivalent Cu2+ sites. In the first Cu2+ site, Cu2+ is bonded in a distorted trigonal planar geometry to three O2- atoms. There is one shorter (1.84 Å) and two longer (1.89 Å) Cu–O bond length. In the second Cu2+ site, Cu2+ is bonded in a distorted trigonal planar geometry to three O2- atoms. There is one shorter (1.83 Å) and two longer (1.90 Å) Cu–O bond length. H1+ is bonded in a single-bond geometry to two Li1+ and one O2- atom. The H–O bond length is 0.98 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded to five Li1+ and one Cu2+ atom to form a mixture of corner and edge-sharing OLi5Cu octahedra. The corner-sharing octahedra tilt angles range from 49–58°. In the second O2- site, O2- is bonded to five Li1+ and one Cu2+ atom to form a mixture of corner and edge-sharing OLi5Cu octahedra. The corner-sharing octahedra tilt angles range from 49–58°. In the third O2- site, O2- is bonded to five Li1+ and one Cu2+ atom to form a mixture of corner and edge-sharing OLi5Cu octahedra. The corner-sharing octahedra tilt angles range from 53–56°. In the fourth O2- site, O2- is bonded to five Li1+ and one Cu2+ atom to form a mixture of distorted corner and edge-sharing OLi5Cu pentagonal pyramids. The corner-sharing octahedra tilt angles range from 48–56°. In the fifth O2- site, O2- is bonded in a distorted single-bond geometry to four Li1+ and one H1+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LiCu(HO)4 by Materials Project

LiCu(HO)4 crystallizes in the orthorhombic Pna2_1 space group. The structure is three-dimensional. Li1+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Li–O bond distances ranging from 2.00–2.13 Å. Cu3+ is bonded in a rectangular see-saw-like geometry to four O2- atoms. There are a spread of Cu–O bond distances ranging from 1.84–1.87 Å. There are four inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. In the second H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.97 Å. In the third H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. In the fourth H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to one Li1+, one Cu3+, and one H1+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one Li1+, one Cu3+, and one H1+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to one Li1+, one Cu3+, and one H1+ atom. In the fourth O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to one Li1+, one Cu3+, and one H1+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Li2Cu(HO)4 by Materials Project

Li2Cu(HO)4 crystallizes in the orthorhombic Pna2_1 space group. The structure is three-dimensional. there are two inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded in a 6-coordinate geometry to one H1+ and five O2- atoms. The Li–H bond length is 2.17 Å. There are a spread of Li–O bond distances ranging from 2.02–2.43 Å. In the second Li1+ site, Li1+ is bonded to six O2- atoms to form distorted corner-sharing LiO6 octahedra. The corner-sharing octahedra tilt angles range from 13–20°. There are a spread of Li–O bond distances ranging from 2.21–2.31 Å. Cu2+ is bonded in a distorted rectangular see-saw-like geometry to four O2- atoms. There is two shorter (1.96 Å) and two longer (2.02 Å) Cu–O bond length. There are four inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.97 Å. In the second H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.97 Å. In the third H1+ site, H1+ is bonded in a single-bond geometry to one Li1+ and one O2- atom. The H–O bond length is 0.99 Å. In the fourth H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to three Li1+, one Cu2+, and one H1+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to three Li1+, one Cu2+, and one H1+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to three Li1+, one Cu2+, and one H1+ atom. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to two Li1+, one Cu2+, and one H1+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Li5Cu(HO2)2 by Materials Project

Li5Cu(HO2)2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are four inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded in a distorted rectangular see-saw-like geometry to four O2- atoms. There are a spread of Li–O bond distances ranging from 1.91–2.15 Å. In the second Li1+ site, Li1+ is bonded in a distorted bent 150 degrees geometry to two equivalent O2- atoms. There is one shorter (1.93 Å) and one longer (1.99 Å) Li–O bond length. In the third Li1+ site, Li1+ is bonded to six O2- atoms to form distorted LiO6 octahedra that share corners with two equivalent LiO4 tetrahedra, edges with two equivalent LiO4 tetrahedra, faces with two equivalent LiO6 octahedra, and faces with two equivalent LiO4 tetrahedra. There are a spread of Li–O bond distances ranging from 2.02–2.34 Å. In the fourth Li1+ site, Li1+ is bonded to four O2- atoms to form distorted LiO4 tetrahedra that share a cornercorner with one LiO6 octahedra, corners with four equivalent LiO4 tetrahedra, an edgeedge with one LiO6 octahedra, and a faceface with one LiO6 octahedra. The corner-sharing octahedral tilt angles are 35°. There are a spread of Li–O bond distances ranging from 1.94–2.05 Å. Cu1+ is bonded in a linear geometry to two O2- atoms. There is one shorter (1.79 Å) and one longer (1.82 Å) Cu–O bond length. H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to five Li1+ and one H1+ atom. In the second O2- site, O2- is bonded in a 6-coordinate geometry to five Li1+ and one Cu1+ atom. In the third O2- site, O2- is bonded to five Li1+ and one Cu1+ atom to form corner-sharing OLi5Cu octahedra. The corner-sharing octahedral tilt angles are 27°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Li9Cu2(HO2)4 by Materials Project

Li9Cu2(HO2)4 crystallizes in the orthorhombic Pmn2_1 space group. The structure is three-dimensional. there are seven inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded in a rectangular see-saw-like geometry to four O2- atoms. There are a spread of Li–O bond distances ranging from 1.92–2.01 Å. In the second Li1+ site, Li1+ is bonded to six O2- atoms to form a mixture of distorted edge and corner-sharing LiO6 octahedra. There are a spread of Li–O bond distances ranging from 2.07–2.24 Å. In the third Li1+ site, Li1+ is bonded in a distorted rectangular see-saw-like geometry to four O2- atoms. There are a spread of Li–O bond distances ranging from 1.95–2.08 Å. In the fourth Li1+ site, Li1+ is bonded in a distorted rectangular see-saw-like geometry to four O2- atoms. There are a spread of Li–O bond distances ranging from 1.90–2.18 Å. In the fifth Li1+ site, Li1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Li–O bond distances ranging from 2.03–2.34 Å. In the sixth Li1+ site, Li1+ is bonded in a 2-coordinate geometry to four O2- atoms. There are a spread of Li–O bond distances ranging from 1.97–2.29 Å. In the seventh Li1+ site, Li1+ is bonded to four O2- atoms to form distorted LiO4 tetrahedra that share a cornercorner with one LiO6 octahedra, corners with two equivalent LiO4 tetrahedra, and an edgeedge with one LiO6 octahedra. The corner-sharing octahedral tilt angles are 30°. There are a spread of Li–O bond distances ranging from 1.92–2.09 Å. There are two inequivalent Cu+1.50+ sites. In the first Cu+1.50+ site, Cu+1.50+ is bonded in a linear geometry to two O2- atoms. There is one shorter (1.77 Å) and one longer (1.78 Å) Cu–O bond length. In the second Cu+1.50+ site, Cu+1.50+ is bonded in a linear geometry to two O2- atoms. There is one shorter (1.77 Å) and one longer (1.78 Å) Cu–O bond length. There are two inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. In the second H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a 6-coordinate geometry to five Li1+ and one Cu+1.50+ atom. In the second O2- site, O2- is bonded to four Li1+ and one Cu+1.50+ atom to form corner-sharing OLi4Cu trigonal bipyramids. In the third O2- site, O2- is bonded in a distorted single-bond geometry to six Li1+ and one H1+ atom. In the fourth O2- site, O2- is bonded in a 6-coordinate geometry to five Li1+ and one Cu+1.50+ atom. In the fifth O2- site, O2- is bonded to four Li1+ and one Cu+1.50+ atom to form corner-sharing OLi4Cu trigonal bipyramids. In the sixth O2- site, O2- is bonded in a distorted single-bond geometry to five Li1+ and one H1+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Li19Cu4(HO2)8 by Materials Project

Li19Cu4(HO2)8 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are nineteen inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded in a distorted rectangular see-saw-like geometry to four O2- atoms. There are a spread of Li–O bond distances ranging from 1.91–2.18 Å. In the second Li1+ site, Li1+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Li–O bond distances ranging from 2.04–2.32 Å. In the third Li1+ site, Li1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Li–O bond distances ranging from 2.03–2.43 Å. In the fourth Li1+ site, Li1+ is bonded to four O2- atoms to form corner-sharing LiO4 tetrahedra. There are a spread of Li–O bond distances ranging from 1.94–2.04 Å. In the fifth Li1+ site, Li1+ is bonded to four O2- atoms to form distorted corner-sharing LiO4 trigonal pyramids. There are a spread of Li–O bond distances ranging from 1.93–2.09 Å. In the sixth Li1+ site, Li1+ is bonded to four O2- atoms to form distorted corner-sharing LiO4 trigonal pyramids. There are a spread of Li–O bond distances ranging from 1.95–2.07 Å. In the seventh Li1+ site, Li1+ is bonded to four O2- atoms to form distorted corner-sharing LiO4 trigonal pyramids. There are a spread of Li–O bond distances ranging from 1.96–2.06 Å. In the eighth Li1+ site, Li1+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Li–O bond distances ranging from 2.04–2.34 Å. In the ninth Li1+ site, Li1+ is bonded in a 3-coordinate geometry to three O2- atoms. There are a spread of Li–O bond distances ranging from 1.97–2.10 Å. In the tenth Li1+ site, Li1+ is bonded in a distorted rectangular see-saw-like geometry to four O2- atoms. There are a spread of Li–O bond distances ranging from 1.93–2.19 Å. In the eleventh Li1+ site, Li1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Li–O bond distances ranging from 2.04–2.39 Å. In the twelfth Li1+ site, Li1+ is bonded in a distorted square co-planar geometry to four O2- atoms. There are a spread of Li–O bond distances ranging from 2.03–2.11 Å. In the thirteenth Li1+ site, Li1+ is bonded to four O2- atoms to form distorted corner-sharing LiO4 tetrahedra. There are a spread of Li–O bond distances ranging from 1.92–2.05 Å. In the fourteenth Li1+ site, Li1+ is bonded in a distorted see-saw-like geometry to four O2- atoms. There are a spread of Li–O bond distances ranging from 1.91–2.09 Å. In the fifteenth Li1+ site, Li1+ is bonded to four O2- atoms to form distorted corner-sharing LiO4 tetrahedra. There are a spread of Li–O bond distances ranging from 1.92–2.01 Å. In the sixteenth Li1+ site, Li1+ is bonded to four O2- atoms to form distorted corner-sharing LiO4 tetrahedra. There are a spread of Li–O bond distances ranging from 1.92–2.01 Å. In the seventeenth Li1+ site, Li1+ is bonded in a distorted rectangular see-saw-like geometry to four O2- atoms. There are a spread of Li–O bond distances ranging from 1.92–2.13 Å. In the eighteenth Li1+ site, Li1+ is bonded in a 2-coordinate geometry to three O2- atoms. There are a spread of Li–O bond distances ranging from 1.91–2.12 Å. In the nineteenth Li1+ site, Li1+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Li–O bond distances ranging from 1.94–2.24 Å. There are four inequivalent Cu+1.25+ sites. In the first Cu+1.25+ site, Cu+1.25+ is bonded in a linear geometry to two O2- atoms. There is one shorter (1.79 Å) and one longer (1.80 Å) Cu–O bond length. In the second Cu+1.25+ site, Cu+1.25+ is bonded in a linear geometry to two O2- atoms. There is one shorter (1.79 Å) and one longer (1.82 Å) Cu–O bond length. In the third Cu+1.25+ site, Cu+1.25+ is bonded in a linear geometry to two O2- atoms. There is one shorter (1.79 Å) and one longer (1.81 Å) Cu–O bond length. In the fourth Cu+1.25+ site, Cu+1.25+ is bonded in a linear geometry to two O2- atoms. There is one shorter (1.76 Å) and one longer (1.78 Å) Cu–O bond length. There are eight inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. In the second H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. In the third H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. In the fourth H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. In the fifth H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.97 Å. In the sixth H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. In the seventh H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.97 Å. In the eighth H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. There are sixteen inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to five Li1+ and one H1+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to five Li1+ and one H1+ atom. In the third O2- site, O2- is bonded in a 5-coordinate geometry to four Li1+ and one Cu+1.25+ atom. In the fourth O2- site, O2- is bonded to five Li1+ and one Cu+1.25+ atom to form corner-sharing OLi5Cu octahedra. The corner-sharing octahedra tilt angles range from 9–41°. In the fifth O2- site, O2- is bonded to five Li1+ and one Cu+1.25+ atom to form corner-sharing OLi5Cu octahedra. In the sixth O2- site, O2- is bonded in a 6-coordinate geometry to five Li1+ and one Cu+1.25+ atom. In the seventh O2- site, O2- is bonded in a distorted single-bond geometry to six Li1+ and one H1+ atom. In the eighth O2- site, O2- is bonded in a distorted single-bond geometry to five Li1+ and one H1+ atom. In the ninth O2- site, O2- is bonded in a 1-coordinate geometry to four Li1+ and one H1+ atom. In the tenth O2- site, O2- is bonded in a 1-coordinate geometry to four Li1+ and one H1+ atom. In the eleventh O2- site, O2- is bonded in a 6-coordinate geometry to five Li1+ and one Cu+1.25+ atom. In the twelfth O2- site, O2- is bonded to five Li1+ and one Cu+1.25+ atom to form corner-sharing OLi5Cu octahedra. The corner-sharing octahedra tilt angles range from 24–31°. In the thirteenth O2- site, O2- is bonded to four Li1+ and one Cu+1.25+ atom to form corner-sharing OLi4Cu square pyramids. The corner-sharing octahedra tilt angles range from 27–34°. In the fourteenth O2- site, O2- is bonded to five Li1+ and one Cu+1.25+ atom to form distorted OLi5Cu octahedra that share corners with two equivalent OLi5Cu octahedra and corners with two equivalent OLi4Cu square pyramids. The corner-sharing octahedra tilt angles range from 9–41°. In the fifteenth O2- site, O2- is bonded in a distorted single-bond geometry to six Li1+ and one H1+ atom. In the sixteenth O2- site, O2- is bonded in a distorted single-bond geometry to five Li1+ and one H1+ atom.

36 MATERIALS SCIENCE↗